4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one

C12H22N2O — CID 120562621

IUPAC4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
SMILESC=CC1CCN(C(=O)CCC(C)N)CC1
InChIInChI=1S/C12H22N2O/c1-3-11-6-8-14(9-7-11)12(15)5-4-10(2)13/h3,10-11H,1,4-9,13H2,2H3
InChIKeyZSNGTZHWQUYOGD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.54
Rot. Bonds4

About 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one

4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one (PubChem CID 120562621) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
PubChem CID120562621
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
SMILESC=CC1CCN(C(=O)CCC(C)N)CC1
InChIInChI=1S/C12H22N2O/c1-3-11-6-8-14(9-7-11)12(15)5-4-10(2)13/h3,10-11H,1,4-9,13H2,2H3
InChIKeyZSNGTZHWQUYOGD-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one (CID 120562621) is 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one is C=CC1CCN(C(=O)CCC(C)N)CC1.
What is the InChIKey of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one?
The InChIKey is ZSNGTZHWQUYOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-11-6-8-14(9-7-11)12(15)5-4-10(2)13/h3,10-11H,1,4-9,13H2,2H3.
What are the key properties of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one?
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 120562621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).